First-principles modelling for time-resolved ARPES under different pump-probe conditions

Abstract

First-principles methods for time-resolved angular resolved photoelectron spectroscopy play a pivotal role in providing interpretation and microscopic understanding of the complex experimental data and in exploring novel observables or observation conditions that may be achieved in future experiments. Here we describe an efficient, reliable and scalable first-principles method for tr-ARPES based on time-dependent density functional theory including propagation and surface effects usually discarded in the widely used many-body techniques based on computing the non-equilibrium spectral function and discuss its application to a variety of pump-probe conditions. We identify four conditions, depending on the length of the probe relative to the excitation in the materials on the one hand and on the overlap between pump and probe on the other hand. Within this paradigm different examples of observables of time-resolved ARPES are discussed in view of the newly developed and highly accurate time-resolved experimental spectroscopies.

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Cited by in corpus (8)

• Time- and Angle-Resolved Photoemission Studies of Quantum Materials
• Ultrafast dynamics of electrons and phonons: from the two-temperature model to the time-dependent Boltzmann equation
• Floquet engineering of black phosphorus upon below-gap pumping
• Advancing time- and angle-resolved photoemission spectroscopy: The role of ultrafast laser development
• A Snapshot of Time-Dependent Density-Functional Theory
• Analysis methodology of coherent oscillations in time- and angle-resolved photoemission spectroscopy
• Light-wave coherent control of the insulator-to-metal transition in a strongly correlated material
• Electron emission from plasmonically induced Floquet bands at metal surfaces